N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine

C18H33N — CID 123943329

IUPACN-butyl-N,5-dipropylocta-1,4,6-trien-4-amine
SMILESC=CCC(=C(C=CC)CCC)N(CCC)CCCC
InChIInChI=1S/C18H33N/c1-6-11-16-19(15-10-5)18(14-9-4)17(12-7-2)13-8-3/h7,9,12H,4,6,8,10-11,13-16H2,1-3,5H3
InChIKeyGVBHNBHDOOLLQU-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.70
Rot. Bonds11

About N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine

N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine (PubChem CID 123943329) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine.

Molecular Properties

Compound NameN-butyl-N,5-dipropylocta-1,4,6-trien-4-amine
PubChem CID123943329
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-butyl-N,5-dipropylocta-1,4,6-trien-4-amine
SMILESC=CCC(=C(C=CC)CCC)N(CCC)CCCC
InChIInChI=1S/C18H33N/c1-6-11-16-19(15-10-5)18(14-9-4)17(12-7-2)13-8-3/h7,9,12H,4,6,8,10-11,13-16H2,1-3,5H3
InChIKeyGVBHNBHDOOLLQU-UHFFFAOYSA-N
XLogP5.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(dimethyloctadienyl)diethylamine
CID 129811778
(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
CID 135266313
(2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine
CID 135266370
(5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine
CID 166651614
1-butyl-5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-1-azacyclododeca-4,6-diene
CID 173906315
N,N,N'-trimethyl-N'-[2-[(E)-oct-1-enyl]cyclopenten-1-yl]ethane-1,2-diamine
CID 13804630
N'-[2-[(Z)-hex-1-enyl]cyclopenten-1-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 13804632
N-(dimethyloctadienyl)piperidine
CID 129763869
(E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine
CID 134859908
(E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine
CID 15315666
N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine
CID 15514429
N-(2-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 12178792

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine?
The IUPAC name of N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine (CID 123943329) is N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine.
What is the SMILES notation for N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine?
The canonical SMILES for N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine is C=CCC(=C(C=CC)CCC)N(CCC)CCCC.
What is the InChIKey of N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine?
The InChIKey is GVBHNBHDOOLLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-6-11-16-19(15-10-5)18(14-9-4)17(12-7-2)13-8-3/h7,9,12H,4,6,8,10-11,13-16H2,1-3,5H3.
What are the key properties of N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine?
N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine has a molecular weight of 263.47 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine is sourced from PubChem (CID 123943329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).